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Drug Interactions

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Deep Learning Models Compared to Experimental Variability for the Prediction of CYP3A4 Time-Dependent Inhibition.

Chemical research in toxicology
Most drugs are mainly metabolized by cytochrome P450 (CYP450), which can lead to drug-drug interactions (DDI). Specifically, time-dependent inhibition (TDI) of CYP3A4 isoenzyme has been associated with clinically relevant DDI. To overcome potential D...

Drug-Online: an online platform for drug-target interaction, affinity, and binding sites identification using deep learning.

BMC bioinformatics
BACKGROUND: Accurately identifying drug-target interaction (DTI), affinity (DTA), and binding sites (DTS) is crucial for drug screening, repositioning, and design, as well as for understanding the functions of target. Although there are a few online ...

SubGE-DDI: A new prediction model for drug-drug interaction established through biomedical texts and drug-pairs knowledge subgraph enhancement.

PLoS computational biology
Biomedical texts provide important data for investigating drug-drug interactions (DDIs) in the field of pharmacovigilance. Although researchers have attempted to investigate DDIs from biomedical texts and predict unknown DDIs, the lack of accurate ma...

Harnessing machine learning to predict cytochrome P450 inhibition through molecular properties.

Archives of toxicology
Cytochrome P450 enzymes are a superfamily of enzymes responsible for the metabolism of a variety of medicines and xenobiotics. Among the Cytochrome P450 family, five isozymes that include 1A2, 2C9, 2C19, 2D6, and 3A4 are most important for the metabo...

MGDDI: A multi-scale graph neural networks for drug-drug interaction prediction.

Methods (San Diego, Calif.)
Drug-drug interaction (DDI) prediction is crucial for identifying interactions within drug combinations, especially adverse effects due to physicochemical incompatibility. While current methods have made strides in predicting adverse drug interaction...

DeepARV: ensemble deep learning to predict drug-drug interaction of clinical relevance with antiretroviral therapy.

NPJ systems biology and applications
Drug-drug interaction (DDI) may result in clinical toxicity or treatment failure of antiretroviral therapy (ARV) or comedications. Despite the high number of possible drug combinations, only a limited number of clinical DDI studies are conducted. Com...

Learning with an evolving medicine label: how artificial intelligence-based medication recommendation systems must adapt to changing medication labels.

Expert opinion on drug safety
INTRODUCTION: Artificial intelligence or machine learning (AI/ML) based systems can help personalize prescribing decisions for individual patients. The recommendations of these clinical decision support systems must relate to the "label" of the medic...

Toward a unified understanding of drug-drug interactions: mapping Japanese drug codes to RxNorm concepts.

Journal of the American Medical Informatics Association : JAMIA
OBJECTIVES: Linking information on Japanese pharmaceutical products to global knowledge bases (KBs) would enhance international collaborative research and yield valuable insights. However, public access to mappings of Japanese pharmaceutical products...

A Network Enhancement Method to Identify Spurious Drug-Drug Interactions.

IEEE/ACM transactions on computational biology and bioinformatics
As medical safety and drug regulation gain heightened attention, the detection of spurious drug-drug interactions (DDI) has become key in healthcare. Although current research using graph neural networks (GNNs) to predict DDI has shown impressive res...